[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane

C64H43N3SSi — CID 168836287

IUPAC[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
SMILESc1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4cc(-c5ccc6sc7ccccc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)c3)c2)cc1
InChIInChI=1S/C64H43N3SSi/c1-4-19-44(20-5-1)46-23-16-28-51(39-46)69(50-26-8-3-9-27-50,52-29-17-24-47(40-52)45-21-6-2-7-22-45)53-30-18-25-48(41-53)58-43-59(49-37-38-63-57(42-49)56-33-12-15-36-62(56)68-63)66-64(65-58)67-60-34-13-10-31-54(60)55-32-11-14-35-61(55)67/h1-43H
InChIKeyLPUKMKOLGUDJID-UHFFFAOYSA-N
MW914.22 g/mol
LogP13.99
Rot. Bonds9

About [3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane

[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane (PubChem CID 168836287) has the molecular formula C64H43N3SSi and a molecular weight of 914.22 g/mol. Its IUPAC name is [3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane.

Molecular Properties

Compound Name[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
PubChem CID168836287
Molecular FormulaC64H43N3SSi
Molecular Weight914.22 g/mol
Exact Mass913.29
IUPAC Name[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
SMILESc1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4cc(-c5ccc6sc7ccccc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)c3)c2)cc1
InChIInChI=1S/C64H43N3SSi/c1-4-19-44(20-5-1)46-23-16-28-51(39-46)69(50-26-8-3-9-27-50,52-29-17-24-47(40-52)45-21-6-2-7-22-45)53-30-18-25-48(41-53)58-43-59(49-37-38-63-57(42-49)56-33-12-15-36-62(56)68-63)66-64(65-58)67-60-34-13-10-31-54(60)55-32-11-14-35-61(55)67/h1-43H
InChIKeyLPUKMKOLGUDJID-UHFFFAOYSA-N
XLogP13.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.22
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 134236738
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
9-[4-carbazol-9-yl-6-[3-(4-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166825982
[3-(2-carbazol-9-yl-6-dibenzofuran-2-ylpyrimidin-4-yl)phenyl]-tris(3-phenylphenyl)silane
CID 168836289
8-[8-[5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 118503299
9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742568
[3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane
CID 156664882
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 169031810
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 169031891
[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166016230
triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane
CID 168780527
9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 139555195

Frequently Asked Questions

What is the IUPAC name of [3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane?
The IUPAC name of [3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane (CID 168836287) is [3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane.
What is the SMILES notation for [3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane?
The canonical SMILES for [3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4cc(-c5ccc6sc7ccccc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)c3)c2)cc1.
What is the InChIKey of [3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane?
The InChIKey is LPUKMKOLGUDJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3SSi/c1-4-19-44(20-5-1)46-23-16-28-51(39-46)69(50-26-8-3-9-27-50,52-29-17-24-47(40-52)45-21-6-2-7-22-45)53-30-18-25-48(41-53)58-43-59(49-37-38-63-57(42-49)56-33-12-15-36-62(56)68-63)66-64(65-58)67-60-34-13-10-31-54(60)55-32-11-14-35-61(55)67/h1-43H.
What are the key properties of [3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane?
[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane has a molecular weight of 914.22 g/mol, XLogP of 13.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane is sourced from PubChem (CID 168836287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).